UCSF

ZINC43967602

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 9.23 -93.99 3 3 2 24 289.467 6
Hi High (pH 8-9.5) 2.88 7 -36.39 2 3 1 23 288.459 6
Mid Mid (pH 6-8) 2.88 8.89 -123.08 3 3 2 24 289.467 6
Mid Mid (pH 6-8) 2.88 7.77 -32.62 2 3 1 20 288.459 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )